REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1vsy_1_B DATA FIRST_RESID 2020 DATA SEQUENCE QIDYALTAVK QGVTSLGIKA TNGVVIATEK KSSSPLAMSE TLSKVSLLTP DATA SEQUENCE DIGAVYSGMG PDYRVLVDKS RKVAHTSYKR IYGEYPPTKL LVSEVAKIMQ DATA SEQUENCE EATQSGGVRP FGVSLLIAGH DEFNGFSLYQ VDPSGSYFPW KATAIGKGSV DATA SEQUENCE AAKTFLEKRW NDELELEDAI HIALLTLKES VEGEFNGDTI ELAIIGDENP DATA SEQUENCE DLLGYTGIPT DKGPRFRKLT SQEINDRLEA L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2020 Q HA 0.000 nan 4.340 nan 0.000 0.214 2020 Q C 0.000 176.181 176.000 0.301 0.000 1.003 2020 Q CA 0.000 56.112 55.803 0.514 0.000 1.022 2020 Q CB 0.000 28.876 28.738 0.229 0.000 1.108 2021 I N 2.123 122.790 120.570 0.163 0.000 2.394 2021 I HA -0.205 3.966 4.170 0.001 0.000 0.251 2021 I C 1.421 177.593 176.117 0.092 0.000 1.136 2021 I CA 1.383 62.756 61.300 0.121 0.000 1.425 2021 I CB -0.080 37.977 38.000 0.094 0.000 1.079 2021 I HN 0.151 nan 8.210 nan 0.000 0.425 2022 D N 0.348 120.755 120.400 0.011 0.000 2.178 2022 D HA -0.193 4.448 4.640 0.001 0.000 0.201 2022 D C 1.951 178.178 176.300 -0.122 0.000 0.980 2022 D CA 1.527 55.462 54.000 -0.109 0.000 0.842 2022 D CB -0.125 40.518 40.800 -0.262 0.000 0.948 2022 D HN 0.437 nan 8.370 nan 0.000 0.472 2023 Y N 1.332 121.655 120.300 0.040 0.000 2.373 2023 Y HA 0.024 4.575 4.550 0.001 0.000 0.293 2023 Y C 2.567 178.493 175.900 0.043 0.000 1.129 2023 Y CA 0.594 58.715 58.100 0.035 0.000 1.226 2023 Y CB -0.297 38.179 38.460 0.027 0.000 1.000 2023 Y HN -0.072 nan 8.280 nan 0.000 0.549 2024 A N 0.023 122.963 122.820 0.200 0.000 1.898 2024 A HA -0.078 4.242 4.320 0.001 0.000 0.214 2024 A C 2.072 179.731 177.584 0.125 0.000 1.183 2024 A CA 0.950 53.077 52.037 0.150 0.000 0.622 2024 A CB -0.999 18.087 19.000 0.143 0.000 0.824 2024 A HN 0.444 nan 8.150 nan 0.000 0.444 2025 L N -0.192 121.095 121.223 0.108 0.000 2.261 2025 L HA -0.177 4.164 4.340 0.001 0.000 0.216 2025 L C 2.536 179.450 176.870 0.072 0.000 1.114 2025 L CA 1.665 56.560 54.840 0.091 0.000 0.777 2025 L CB -0.313 41.792 42.059 0.077 0.000 0.910 2025 L HN 0.368 nan 8.230 nan 0.000 0.440 2026 T N -1.133 113.464 114.554 0.071 0.000 2.896 2026 T HA -0.029 4.322 4.350 0.001 0.000 0.263 2026 T C 1.947 176.688 174.700 0.069 0.000 1.050 2026 T CA 0.966 63.103 62.100 0.061 0.000 1.140 2026 T CB -0.051 68.856 68.868 0.065 0.000 0.877 2026 T HN 0.440 nan 8.240 nan 0.000 0.457 2027 A N 0.922 123.795 122.820 0.088 0.000 1.969 2027 A HA 0.000 4.321 4.320 0.001 0.000 0.218 2027 A C 2.483 180.114 177.584 0.077 0.000 1.169 2027 A CA 0.991 53.078 52.037 0.083 0.000 0.635 2027 A CB -0.831 18.227 19.000 0.097 0.000 0.810 2027 A HN 0.351 nan 8.150 nan 0.000 0.445 2028 V N 0.235 120.199 119.914 0.083 0.000 2.358 2028 V HA -0.209 3.912 4.120 0.001 0.000 0.246 2028 V C 2.476 178.591 176.094 0.036 0.000 1.047 2028 V CA 1.972 64.316 62.300 0.072 0.000 1.035 2028 V CB -0.506 31.370 31.823 0.090 0.000 0.658 2028 V HN 0.453 nan 8.190 nan 0.000 0.452 2029 K N 0.462 120.882 120.400 0.034 0.000 2.103 2029 K HA -0.126 4.195 4.320 0.001 0.000 0.207 2029 K C 1.189 177.789 176.600 0.000 0.000 1.048 2029 K CA 0.970 57.265 56.287 0.013 0.000 0.930 2029 K CB -0.142 32.367 32.500 0.015 0.000 0.716 2029 K HN 0.691 nan 8.250 nan 0.000 0.444 2030 Q N -0.121 119.685 119.800 0.010 0.000 2.185 2030 Q HA 0.470 4.810 4.340 0.001 0.000 0.225 2030 Q C 0.200 176.197 176.000 -0.005 0.000 0.983 2030 Q CA -0.421 55.382 55.803 0.000 0.000 0.950 2030 Q CB 1.022 29.766 28.738 0.011 0.000 1.176 2030 Q HN 0.154 nan 8.270 nan 0.000 0.510 2031 G N -0.681 108.110 108.800 -0.016 0.000 2.719 2031 G HA2 -0.141 3.819 3.960 0.001 0.000 0.686 2031 G HA3 -0.141 3.819 3.960 0.001 0.000 0.686 2031 G C -0.398 174.451 174.900 -0.084 0.000 1.201 2031 G CA -0.541 44.540 45.100 -0.031 0.000 0.768 2031 G HN 0.616 nan 8.290 nan 0.000 0.629 2032 V N 1.552 121.394 119.914 -0.120 0.000 2.694 2032 V HA 0.291 4.412 4.120 0.001 0.000 0.306 2032 V C 1.560 177.546 176.094 -0.180 0.000 1.054 2032 V CA 0.595 62.811 62.300 -0.141 0.000 1.161 2032 V CB 0.380 32.117 31.823 -0.143 0.000 0.916 2032 V HN 1.076 nan 8.190 nan 0.000 0.490 2033 T N 4.598 119.069 114.554 -0.138 0.000 2.934 2033 T HA 0.349 4.699 4.350 0.001 0.000 0.306 2033 T C 0.372 174.977 174.700 -0.157 0.000 1.042 2033 T CA 0.232 62.250 62.100 -0.137 0.000 1.145 2033 T CB 0.312 69.110 68.868 -0.117 0.000 0.982 2033 T HN 1.156 nan 8.240 nan 0.000 0.544 2034 S N 1.731 117.338 115.700 -0.155 0.000 2.579 2034 S HA 0.819 5.290 4.470 0.001 0.000 0.272 2034 S C -1.202 173.327 174.600 -0.118 0.000 1.141 2034 S CA -1.173 56.941 58.200 -0.143 0.000 0.843 2034 S CB 1.475 64.561 63.200 -0.190 0.000 1.122 2034 S HN 0.809 nan 8.310 nan 0.000 0.468 2035 L N -1.993 119.175 121.223 -0.092 0.000 2.510 2035 L HA 1.103 5.443 4.340 0.001 0.000 0.252 2035 L C -0.283 176.551 176.870 -0.059 0.000 1.091 2035 L CA -0.560 54.225 54.840 -0.092 0.000 0.888 2035 L CB 1.088 43.099 42.059 -0.080 0.000 1.507 2035 L HN 1.217 nan 8.230 nan 0.000 0.407 2036 G N 0.093 108.854 108.800 -0.066 0.000 2.759 2036 G HA2 0.727 4.688 3.960 0.001 0.000 0.297 2036 G HA3 0.727 4.688 3.960 0.001 0.000 0.297 2036 G C -1.809 173.080 174.900 -0.019 0.000 1.434 2036 G CA -0.563 44.524 45.100 -0.021 0.000 0.980 2036 G HN 0.704 nan 8.290 nan 0.000 0.531 2037 I N 1.086 121.672 120.570 0.027 0.000 2.512 2037 I HA 0.367 4.537 4.170 0.001 0.000 0.287 2037 I C -0.132 176.044 176.117 0.099 0.000 1.069 2037 I CA -0.844 60.495 61.300 0.065 0.000 1.056 2037 I CB 2.453 40.530 38.000 0.129 0.000 1.229 2037 I HN 0.461 nan 8.210 nan 0.000 0.429 2038 K N 5.039 125.512 120.400 0.123 0.000 2.144 2038 K HA 0.818 5.138 4.320 0.001 0.000 0.270 2038 K C -0.546 176.217 176.600 0.270 0.000 1.005 2038 K CA -0.125 56.251 56.287 0.149 0.000 0.932 2038 K CB 1.570 34.156 32.500 0.143 0.000 1.021 2038 K HN 0.780 nan 8.250 nan 0.000 0.462 2039 A N 1.446 124.318 122.820 0.087 0.000 2.726 2039 A HA 0.340 4.660 4.320 0.001 0.000 0.248 2039 A C 0.833 178.412 177.584 -0.007 0.000 1.249 2039 A CA 0.019 52.088 52.037 0.054 0.000 0.846 2039 A CB 0.495 19.467 19.000 -0.047 0.000 1.391 2039 A HN 0.842 nan 8.150 nan 0.000 0.497 2040 T N -1.611 112.916 114.554 -0.044 0.000 2.937 2040 T HA -0.037 4.313 4.350 0.001 0.000 0.260 2040 T C 0.638 175.328 174.700 -0.017 0.000 1.051 2040 T CA 1.358 63.459 62.100 0.002 0.000 1.141 2040 T CB -0.322 68.540 68.868 -0.010 0.000 0.879 2040 T HN 0.772 nan 8.240 nan 0.000 0.459 2041 N N 1.348 119.955 118.700 -0.155 0.000 2.553 2041 N HA 0.451 5.191 4.740 0.001 0.000 0.298 2041 N C 0.170 175.357 175.510 -0.538 0.000 1.596 2041 N CA -0.063 52.885 53.050 -0.170 0.000 0.910 2041 N CB 0.767 39.236 38.487 -0.029 0.000 1.336 2041 N HN 0.694 nan 8.380 nan 0.000 0.497 2042 G N -0.840 107.237 108.800 -1.205 0.000 2.339 2042 G HA2 0.329 4.290 3.960 0.001 0.000 0.302 2042 G HA3 0.329 4.290 3.960 0.001 0.000 0.302 2042 G C -2.173 172.329 174.900 -0.664 0.000 1.425 2042 G CA -0.567 43.892 45.100 -1.069 0.000 0.899 2042 G HN 0.099 nan 8.290 nan 0.000 0.619 2043 V N -0.685 119.042 119.914 -0.312 0.000 3.001 2043 V HA 0.895 5.015 4.120 0.001 0.000 0.314 2043 V C -0.419 175.657 176.094 -0.030 0.000 1.099 2043 V CA -0.891 61.363 62.300 -0.076 0.000 0.989 2043 V CB 1.789 33.661 31.823 0.082 0.000 1.040 2043 V HN 1.569 nan 8.190 nan 0.000 0.434 2044 V N 4.876 124.793 119.914 0.005 0.000 2.760 2044 V HA 0.749 4.869 4.120 0.001 0.000 0.309 2044 V C -1.199 174.907 176.094 0.020 0.000 1.077 2044 V CA -0.435 61.864 62.300 -0.000 0.000 0.910 2044 V CB 1.785 33.606 31.823 -0.003 0.000 1.008 2044 V HN 0.853 nan 8.190 nan 0.000 0.424 2045 I N 4.173 124.752 120.570 0.015 0.000 2.619 2045 I HA 1.037 5.208 4.170 0.001 0.000 0.292 2045 I C -0.566 175.557 176.117 0.010 0.000 1.100 2045 I CA -0.754 60.561 61.300 0.025 0.000 1.043 2045 I CB 1.928 39.967 38.000 0.064 0.000 1.239 2045 I HN 0.894 nan 8.210 nan 0.000 0.420 2046 A N 3.304 126.123 122.820 -0.003 0.000 2.606 2046 A HA 0.898 5.218 4.320 0.001 0.000 0.293 2046 A C -0.802 176.762 177.584 -0.035 0.000 1.082 2046 A CA -0.500 51.531 52.037 -0.009 0.000 0.685 2046 A CB 2.191 21.189 19.000 -0.003 0.000 1.284 2046 A HN 0.878 nan 8.150 nan 0.000 0.408 2047 T N -0.683 113.848 114.554 -0.039 0.000 2.754 2047 T HA 0.560 4.911 4.350 0.001 0.000 0.296 2047 T C -1.302 173.374 174.700 -0.040 0.000 1.205 2047 T CA -0.298 61.755 62.100 -0.078 0.000 1.009 2047 T CB 1.539 70.312 68.868 -0.159 0.000 1.368 2047 T HN 0.868 nan 8.240 nan 0.000 0.509 2048 E N 0.887 121.056 120.200 -0.052 0.000 2.248 2048 E HA 0.399 4.750 4.350 0.001 0.000 0.272 2048 E C -0.863 175.725 176.600 -0.020 0.000 1.008 2048 E CA -0.634 55.760 56.400 -0.011 0.000 0.856 2048 E CB 0.980 30.678 29.700 -0.003 0.000 1.120 2048 E HN 0.386 nan 8.360 nan 0.000 0.397 2049 K N 3.554 123.959 120.400 0.008 0.000 2.290 2049 K HA 0.135 4.455 4.320 0.001 0.000 0.250 2049 K C -0.555 176.056 176.600 0.018 0.000 1.092 2049 K CA -0.283 56.014 56.287 0.017 0.000 1.006 2049 K CB 0.569 33.086 32.500 0.028 0.000 1.549 2049 K HN 0.288 nan 8.250 nan 0.000 0.436 2050 K N 1.587 121.993 120.400 0.010 0.000 2.378 2050 K HA 0.055 4.376 4.320 0.001 0.000 0.288 2050 K C -0.399 176.214 176.600 0.022 0.000 1.057 2050 K CA 0.079 56.373 56.287 0.012 0.000 0.971 2050 K CB 0.736 33.237 32.500 0.001 0.000 0.975 2050 K HN 0.208 nan 8.250 nan 0.000 0.475 2051 S N 2.177 117.889 115.700 0.021 0.000 2.448 2051 S HA -0.004 4.466 4.470 0.001 0.000 0.279 2051 S C 0.964 175.577 174.600 0.022 0.000 1.195 2051 S CA -0.521 57.693 58.200 0.023 0.000 1.051 2051 S CB 0.490 63.703 63.200 0.020 0.000 0.948 2051 S HN 0.706 nan 8.310 nan 0.000 0.493 2052 S N 3.032 118.748 115.700 0.026 0.000 2.723 2052 S HA 0.173 4.644 4.470 0.001 0.000 0.231 2052 S C 0.466 175.078 174.600 0.020 0.000 0.967 2052 S CA 0.151 58.365 58.200 0.024 0.000 0.958 2052 S CB -0.414 62.803 63.200 0.030 0.000 0.778 2052 S HN 0.629 nan 8.310 nan 0.000 0.537 2053 S N 0.129 115.840 115.700 0.018 0.000 2.752 2053 S HA 0.307 4.777 4.470 0.001 0.000 0.279 2053 S C -2.984 171.625 174.600 0.015 0.000 0.949 2053 S CA -0.746 57.463 58.200 0.015 0.000 0.916 2053 S CB 0.301 63.510 63.200 0.016 0.000 1.157 2053 S HN 0.033 nan 8.310 nan 0.000 0.459 2054 P HA 0.284 nan 4.420 nan 0.000 0.230 2054 P C 1.538 178.845 177.300 0.011 0.000 1.168 2054 P CA 0.183 63.290 63.100 0.011 0.000 0.793 2054 P CB 0.091 31.797 31.700 0.010 0.000 0.851 2055 L N -0.827 120.403 121.223 0.012 0.000 2.083 2055 L HA -0.039 4.302 4.340 0.001 0.000 0.209 2055 L C 1.252 178.130 176.870 0.013 0.000 1.083 2055 L CA 0.343 55.190 54.840 0.011 0.000 0.752 2055 L CB -0.893 41.173 42.059 0.011 0.000 0.899 2055 L HN -0.071 nan 8.230 nan 0.000 0.433 2056 A N 0.603 123.432 122.820 0.016 0.000 2.462 2056 A HA 0.283 4.603 4.320 0.001 0.000 0.243 2056 A C 0.118 177.713 177.584 0.018 0.000 1.076 2056 A CA -0.148 51.900 52.037 0.018 0.000 0.773 2056 A CB 0.065 19.078 19.000 0.022 0.000 1.010 2056 A HN 0.215 nan 8.150 nan 0.000 0.493 2057 M N 3.312 122.924 119.600 0.019 0.000 2.077 2057 M HA 0.143 4.623 4.480 0.001 0.000 0.348 2057 M C 0.961 177.275 176.300 0.024 0.000 1.252 2057 M CA -0.163 55.148 55.300 0.019 0.000 1.096 2057 M CB 0.890 33.500 32.600 0.017 0.000 1.568 2057 M HN 0.793 nan 8.290 nan 0.000 0.456 2058 S N 0.755 116.469 115.700 0.024 0.000 2.555 2058 S HA -0.101 4.369 4.470 0.001 0.000 0.230 2058 S C 1.429 176.050 174.600 0.035 0.000 0.978 2058 S CA 0.629 58.847 58.200 0.031 0.000 0.934 2058 S CB -0.373 62.843 63.200 0.028 0.000 0.766 2058 S HN 0.787 nan 8.310 nan 0.000 0.533 2059 E N 2.269 122.487 120.200 0.030 0.000 2.427 2059 E HA -0.112 4.239 4.350 0.001 0.000 0.196 2059 E C 1.437 178.061 176.600 0.039 0.000 1.028 2059 E CA 1.274 57.694 56.400 0.033 0.000 0.864 2059 E CB -0.931 28.785 29.700 0.025 0.000 0.813 2059 E HN 0.690 nan 8.360 nan 0.000 0.514 2060 T N -1.237 113.340 114.554 0.038 0.000 3.148 2060 T HA 0.194 4.544 4.350 0.001 0.000 0.253 2060 T C 0.444 175.172 174.700 0.048 0.000 1.134 2060 T CA -0.239 61.884 62.100 0.038 0.000 1.051 2060 T CB 0.061 68.947 68.868 0.031 0.000 0.959 2060 T HN -0.018 nan 8.240 nan 0.000 0.525 2061 L N 1.129 122.388 121.223 0.060 0.000 2.385 2061 L HA 0.665 5.006 4.340 0.001 0.000 0.273 2061 L C -0.670 176.262 176.870 0.103 0.000 0.990 2061 L CA -0.783 54.106 54.840 0.081 0.000 0.821 2061 L CB 2.267 44.378 42.059 0.087 0.000 1.279 2061 L HN 0.067 nan 8.230 nan 0.000 0.412 2062 S N 2.789 118.567 115.700 0.130 0.000 2.474 2062 S HA 0.409 4.879 4.470 0.001 0.000 0.321 2062 S C 0.786 175.542 174.600 0.260 0.000 1.080 2062 S CA -0.491 57.807 58.200 0.163 0.000 1.106 2062 S CB 0.650 63.937 63.200 0.145 0.000 0.984 2062 S HN 0.673 nan 8.310 nan 0.000 0.464 2063 K N 2.341 122.888 120.400 0.244 0.000 2.365 2063 K HA 0.145 4.465 4.320 0.001 0.000 0.197 2063 K C -0.184 176.579 176.600 0.271 0.000 1.042 2063 K CA 0.572 57.036 56.287 0.295 0.000 0.987 2063 K CB 0.367 32.966 32.500 0.165 0.000 0.779 2063 K HN 0.407 nan 8.250 nan 0.000 0.484 2064 V N 1.654 121.722 119.914 0.257 0.000 2.313 2064 V HA 0.208 4.329 4.120 0.001 0.000 0.278 2064 V C -0.473 175.824 176.094 0.338 0.000 1.017 2064 V CA -0.651 61.823 62.300 0.290 0.000 0.823 2064 V CB 1.348 33.302 31.823 0.220 0.000 1.010 2064 V HN -0.027 nan 8.190 nan 0.000 0.443 2065 S N 4.601 120.501 115.700 0.333 0.000 2.537 2065 S HA 0.652 5.122 4.470 0.001 0.000 0.301 2065 S C -0.436 174.126 174.600 -0.062 0.000 1.092 2065 S CA -0.526 57.761 58.200 0.145 0.000 1.048 2065 S CB 1.930 65.166 63.200 0.061 0.000 1.053 2065 S HN 0.713 nan 8.310 nan 0.000 0.501 2066 L N 4.472 125.488 121.223 -0.346 0.000 2.331 2066 L HA 0.377 4.717 4.340 0.001 0.000 0.278 2066 L C 0.017 176.667 176.870 -0.366 0.000 1.106 2066 L CA -0.299 54.084 54.840 -0.762 0.000 0.824 2066 L CB 0.225 41.742 42.059 -0.903 0.000 1.142 2066 L HN 0.765 nan 8.230 nan 0.000 0.443 2067 L N 3.181 124.221 121.223 -0.305 0.000 2.347 2067 L HA 0.215 4.556 4.340 0.001 0.000 0.196 2067 L C 0.875 177.657 176.870 -0.146 0.000 1.072 2067 L CA 0.551 55.295 54.840 -0.161 0.000 0.817 2067 L CB -0.120 41.880 42.059 -0.098 0.000 1.029 2067 L HN 0.734 nan 8.230 nan 0.000 0.478 2068 T N -4.443 109.982 114.554 -0.215 0.000 2.887 2068 T HA 0.405 4.756 4.350 0.001 0.000 0.292 2068 T C -2.517 171.967 174.700 -0.361 0.000 1.087 2068 T CA -1.808 60.084 62.100 -0.346 0.000 1.009 2068 T CB 1.837 70.472 68.868 -0.388 0.000 1.203 2068 T HN -0.269 nan 8.240 nan 0.000 0.518 2069 P HA 0.182 nan 4.420 nan 0.000 0.239 2069 P C 0.150 177.415 177.300 -0.058 0.000 1.184 2069 P CA 0.586 63.561 63.100 -0.208 0.000 0.760 2069 P CB 0.040 31.625 31.700 -0.192 0.000 0.884 2070 D N -1.375 118.972 120.400 -0.088 0.000 2.469 2070 D HA 0.241 4.882 4.640 0.001 0.000 0.213 2070 D C 0.436 176.807 176.300 0.117 0.000 1.135 2070 D CA 0.248 54.281 54.000 0.055 0.000 0.834 2070 D CB 0.940 41.764 40.800 0.040 0.000 1.009 2070 D HN 0.201 nan 8.370 nan 0.000 0.507 2071 I N 0.485 121.089 120.570 0.057 0.000 2.571 2071 I HA 0.458 4.628 4.170 0.001 0.000 0.289 2071 I C 0.099 176.250 176.117 0.057 0.000 1.115 2071 I CA -0.814 60.540 61.300 0.090 0.000 1.045 2071 I CB 2.425 40.432 38.000 0.013 0.000 1.238 2071 I HN -0.201 nan 8.210 nan 0.000 0.424 2072 G N 3.816 112.769 108.800 0.254 0.000 2.685 2072 G HA2 0.924 4.884 3.960 0.001 0.000 0.298 2072 G HA3 0.924 4.884 3.960 0.001 0.000 0.298 2072 G C -1.577 173.469 174.900 0.244 0.000 1.277 2072 G CA -0.678 44.591 45.100 0.282 0.000 0.986 2072 G HN 0.782 nan 8.290 nan 0.000 0.487 2073 A N -1.236 121.740 122.820 0.261 0.000 2.594 2073 A HA 0.819 5.140 4.320 0.001 0.000 0.295 2073 A C -1.423 176.348 177.584 0.311 0.000 1.071 2073 A CA -0.539 51.652 52.037 0.258 0.000 0.685 2073 A CB 1.880 21.020 19.000 0.234 0.000 1.285 2073 A HN 1.897 nan 8.150 nan 0.000 0.405 2074 V N 1.440 121.490 119.914 0.225 0.000 3.130 2074 V HA 0.932 5.052 4.120 0.001 0.000 0.310 2074 V C -1.605 174.512 176.094 0.039 0.000 1.158 2074 V CA -0.505 61.859 62.300 0.106 0.000 1.029 2074 V CB 2.344 34.196 31.823 0.048 0.000 1.057 2074 V HN 1.745 nan 8.190 nan 0.000 0.436 2075 Y N 1.094 121.170 120.300 -0.373 0.000 2.715 2075 Y HA 0.900 5.450 4.550 0.001 0.000 0.331 2075 Y C -0.864 174.911 175.900 -0.208 0.000 1.197 2075 Y CA -1.302 56.613 58.100 -0.310 0.000 1.079 2075 Y CB 1.587 39.726 38.460 -0.536 0.000 1.298 2075 Y HN 0.475 nan 8.280 nan 0.000 0.477 2076 S N 0.435 115.968 115.700 -0.278 0.000 2.614 2076 S HA 0.757 5.228 4.470 0.001 0.000 0.275 2076 S C -0.127 174.464 174.600 -0.016 0.000 1.161 2076 S CA -0.102 57.892 58.200 -0.343 0.000 0.969 2076 S CB 1.087 64.178 63.200 -0.181 0.000 1.059 2076 S HN 1.719 nan 8.310 nan 0.000 0.482 2077 G N 2.942 111.742 108.800 -0.001 0.000 2.254 2077 G HA2 -0.049 3.912 3.960 0.001 0.000 0.193 2077 G HA3 -0.049 3.912 3.960 0.001 0.000 0.193 2077 G C -1.107 173.970 174.900 0.295 0.000 1.233 2077 G CA -0.910 44.288 45.100 0.163 0.000 1.290 2077 G HN 0.594 nan 8.290 nan 0.000 0.517 2078 M N 2.809 122.576 119.600 0.278 0.000 2.193 2078 M HA 0.353 4.834 4.480 0.001 0.000 0.342 2078 M C 1.828 178.250 176.300 0.204 0.000 1.413 2078 M CA 0.540 55.970 55.300 0.217 0.000 1.191 2078 M CB 0.793 33.486 32.600 0.157 0.000 1.633 2078 M HN 0.876 nan 8.290 nan 0.000 0.458 2079 G N 4.654 113.583 108.800 0.215 0.000 2.672 2079 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 2079 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 2079 G C -1.066 173.842 174.900 0.014 0.000 1.238 2079 G CA 0.969 46.134 45.100 0.109 0.000 0.791 2079 G HN 0.499 nan 8.290 nan 0.000 0.606 2080 P HA -0.061 nan 4.420 nan 0.000 0.215 2080 P C 1.126 178.452 177.300 0.044 0.000 1.157 2080 P CA 1.698 64.820 63.100 0.036 0.000 0.874 2080 P CB -0.169 31.558 31.700 0.045 0.000 0.790 2081 D N -2.398 118.059 120.400 0.095 0.000 2.182 2081 D HA -0.203 4.438 4.640 0.001 0.000 0.201 2081 D C 1.779 178.150 176.300 0.117 0.000 0.986 2081 D CA 0.967 55.084 54.000 0.194 0.000 0.847 2081 D CB -0.904 40.064 40.800 0.280 0.000 0.942 2081 D HN 0.243 nan 8.370 nan 0.000 0.467 2082 Y N 1.258 121.451 120.300 -0.178 0.000 2.133 2082 Y HA -0.083 4.468 4.550 0.001 0.000 0.287 2082 Y C 2.291 178.052 175.900 -0.233 0.000 1.134 2082 Y CA 1.421 59.316 58.100 -0.341 0.000 1.133 2082 Y CB -0.198 37.707 38.460 -0.924 0.000 0.987 2082 Y HN -0.234 nan 8.280 nan 0.000 0.502 2083 R N -0.123 120.200 120.500 -0.295 0.000 2.112 2083 R HA -0.195 4.146 4.340 0.001 0.000 0.242 2083 R C 2.266 178.420 176.300 -0.243 0.000 1.137 2083 R CA 2.605 58.525 56.100 -0.299 0.000 0.944 2083 R CB -0.845 29.383 30.300 -0.119 0.000 0.857 2083 R HN 0.473 nan 8.270 nan 0.000 0.435 2084 V N -1.348 118.493 119.914 -0.122 0.000 3.141 2084 V HA -0.035 4.085 4.120 0.001 0.000 0.265 2084 V C 1.734 177.769 176.094 -0.097 0.000 1.126 2084 V CA 1.285 63.546 62.300 -0.064 0.000 1.141 2084 V CB -0.248 31.593 31.823 0.030 0.000 0.743 2084 V HN 0.265 nan 8.190 nan 0.000 0.492 2085 L N -0.936 120.172 121.223 -0.193 0.000 2.249 2085 L HA 0.097 4.437 4.340 0.001 0.000 0.207 2085 L C 2.551 179.243 176.870 -0.297 0.000 1.090 2085 L CA 0.792 55.458 54.840 -0.289 0.000 0.802 2085 L CB 0.235 42.059 42.059 -0.392 0.000 0.947 2085 L HN 0.264 nan 8.230 nan 0.000 0.453 2086 V N -0.097 119.575 119.914 -0.404 0.000 2.453 2086 V HA -0.257 3.864 4.120 0.001 0.000 0.247 2086 V C 1.988 177.944 176.094 -0.230 0.000 1.048 2086 V CA 1.789 63.858 62.300 -0.385 0.000 1.049 2086 V CB -0.200 31.270 31.823 -0.588 0.000 0.672 2086 V HN 0.444 nan 8.190 nan 0.000 0.457 2087 D N -0.162 120.120 120.400 -0.197 0.000 2.077 2087 D HA -0.147 4.494 4.640 0.001 0.000 0.196 2087 D C 2.211 178.453 176.300 -0.096 0.000 0.986 2087 D CA 1.205 55.129 54.000 -0.126 0.000 0.829 2087 D CB -0.224 40.515 40.800 -0.101 0.000 0.983 2087 D HN 0.337 nan 8.370 nan 0.000 0.453 2088 K N 0.456 120.801 120.400 -0.093 0.000 2.218 2088 K HA -0.080 4.241 4.320 0.001 0.000 0.205 2088 K C 2.228 178.786 176.600 -0.070 0.000 1.046 2088 K CA 0.768 57.016 56.287 -0.066 0.000 0.933 2088 K CB 0.006 32.474 32.500 -0.055 0.000 0.728 2088 K HN -0.084 nan 8.250 nan 0.000 0.454 2089 S N -0.006 115.635 115.700 -0.099 0.000 2.388 2089 S HA 0.006 4.477 4.470 0.001 0.000 0.223 2089 S C 1.723 176.298 174.600 -0.042 0.000 1.034 2089 S CA 0.634 58.780 58.200 -0.090 0.000 0.963 2089 S CB 0.110 63.234 63.200 -0.127 0.000 0.827 2089 S HN 0.238 nan 8.310 nan 0.000 0.481 2090 R N 1.307 121.782 120.500 -0.041 0.000 2.080 2090 R HA -0.099 4.241 4.340 0.001 0.000 0.236 2090 R C 2.406 178.761 176.300 0.091 0.000 1.137 2090 R CA 1.708 57.822 56.100 0.023 0.000 0.943 2090 R CB -0.306 29.984 30.300 -0.015 0.000 0.846 2090 R HN 0.269 nan 8.270 nan 0.000 0.431 2091 K N 0.691 121.101 120.400 0.016 0.000 2.020 2091 K HA -0.165 4.155 4.320 0.001 0.000 0.212 2091 K C 1.989 178.636 176.600 0.078 0.000 1.050 2091 K CA 1.666 57.963 56.287 0.016 0.000 0.929 2091 K CB -0.396 32.087 32.500 -0.027 0.000 0.714 2091 K HN 0.087 nan 8.250 nan 0.000 0.443 2092 V N 0.849 120.788 119.914 0.043 0.000 2.688 2092 V HA -0.211 3.909 4.120 0.001 0.000 0.256 2092 V C 1.992 178.133 176.094 0.079 0.000 1.084 2092 V CA 2.059 64.384 62.300 0.043 0.000 1.103 2092 V CB -0.523 31.300 31.823 0.000 0.000 0.688 2092 V HN 0.494 nan 8.190 nan 0.000 0.480 2093 A N -1.145 121.744 122.820 0.114 0.000 1.930 2093 A HA -0.186 4.134 4.320 0.001 0.000 0.217 2093 A C 1.880 179.538 177.584 0.123 0.000 1.175 2093 A CA 2.014 54.123 52.037 0.120 0.000 0.627 2093 A CB -0.690 18.393 19.000 0.139 0.000 0.815 2093 A HN 0.752 nan 8.150 nan 0.000 0.443 2094 H N -0.326 118.782 119.070 0.063 0.000 2.287 2094 H HA -0.037 4.519 4.556 0.001 0.000 0.309 2094 H C 2.658 177.997 175.328 0.018 0.000 1.059 2094 H CA 2.222 58.287 56.048 0.029 0.000 1.357 2094 H CB -0.844 28.922 29.762 0.008 0.000 1.409 2094 H HN 0.573 nan 8.280 nan 0.000 0.515 2095 T N -1.728 112.917 114.554 0.151 0.000 2.802 2095 T HA -0.160 4.191 4.350 0.001 0.000 0.269 2095 T C 1.734 176.458 174.700 0.041 0.000 1.062 2095 T CA 1.854 63.994 62.100 0.066 0.000 1.133 2095 T CB -0.384 68.508 68.868 0.040 0.000 0.852 2095 T HN 0.198 nan 8.240 nan 0.000 0.485 2096 S N -1.506 114.238 115.700 0.074 0.000 2.578 2096 S HA 0.381 4.852 4.470 0.001 0.000 0.228 2096 S C 0.536 175.233 174.600 0.162 0.000 1.022 2096 S CA -0.549 57.700 58.200 0.082 0.000 0.967 2096 S CB 0.192 63.443 63.200 0.084 0.000 0.914 2096 S HN 0.652 nan 8.310 nan 0.000 0.515 2097 Y N 0.992 121.298 120.300 0.009 0.000 3.280 2097 Y HA 0.363 4.913 4.550 0.001 0.000 0.195 2097 Y C 1.859 177.757 175.900 -0.004 0.000 0.916 2097 Y CA 0.106 58.245 58.100 0.066 0.000 1.655 2097 Y CB -0.050 38.453 38.460 0.072 0.000 1.472 2097 Y HN -0.158 nan 8.280 nan 0.000 0.384 2098 K N 0.893 121.339 120.400 0.078 0.000 2.113 2098 K HA -0.212 4.109 4.320 0.001 0.000 0.208 2098 K C 1.662 178.175 176.600 -0.146 0.000 1.047 2098 K CA 1.832 58.033 56.287 -0.144 0.000 0.928 2098 K CB -0.120 32.095 32.500 -0.475 0.000 0.716 2098 K HN 0.321 nan 8.250 nan 0.000 0.446 2099 R N -0.140 120.301 120.500 -0.099 0.000 2.307 2099 R HA 0.046 4.387 4.340 0.001 0.000 0.199 2099 R C 1.928 178.127 176.300 -0.168 0.000 1.000 2099 R CA 0.513 56.554 56.100 -0.097 0.000 1.023 2099 R CB 0.094 30.368 30.300 -0.045 0.000 0.908 2099 R HN 0.285 nan 8.270 nan 0.000 0.473 2100 I N -1.989 118.418 120.570 -0.272 0.000 2.899 2100 I HA -0.057 4.113 4.170 0.001 0.000 0.257 2100 I C 0.838 176.658 176.117 -0.495 0.000 1.115 2100 I CA 0.629 61.650 61.300 -0.464 0.000 1.451 2100 I CB 0.110 37.654 38.000 -0.761 0.000 1.251 2100 I HN 0.005 nan 8.210 nan 0.000 0.456 2101 Y N 1.090 121.206 120.300 -0.307 0.000 2.458 2101 Y HA 0.384 4.934 4.550 0.001 0.000 0.256 2101 Y C 1.864 177.642 175.900 -0.204 0.000 1.159 2101 Y CA 0.191 58.108 58.100 -0.305 0.000 1.261 2101 Y CB 0.188 38.338 38.460 -0.517 0.000 1.119 2101 Y HN 0.300 nan 8.280 nan 0.000 0.524 2102 G N 0.196 108.957 108.800 -0.065 0.000 2.257 2102 G HA2 -0.325 3.635 3.960 0.001 0.000 0.267 2102 G HA3 -0.325 3.635 3.960 0.001 0.000 0.267 2102 G C 0.327 175.197 174.900 -0.051 0.000 0.984 2102 G CA 0.702 45.765 45.100 -0.062 0.000 0.626 2102 G HN 0.443 nan 8.290 nan 0.000 0.540 2103 E N -1.084 119.125 120.200 0.015 0.000 2.302 2103 E HA 0.659 5.010 4.350 0.001 0.000 0.255 2103 E C -0.376 176.288 176.600 0.107 0.000 1.099 2103 E CA -0.973 55.486 56.400 0.099 0.000 0.929 2103 E CB 0.768 30.590 29.700 0.205 0.000 1.203 2103 E HN 0.264 nan 8.360 nan 0.000 0.459 2104 Y N 0.067 120.464 120.300 0.161 0.000 2.392 2104 Y HA 0.271 4.821 4.550 0.001 0.000 0.323 2104 Y C -1.924 173.959 175.900 -0.028 0.000 1.291 2104 Y CA -2.066 56.084 58.100 0.084 0.000 1.345 2104 Y CB 0.514 38.966 38.460 -0.015 0.000 1.320 2104 Y HN 0.335 nan 8.280 nan 0.000 0.518 2105 P HA 0.212 nan 4.420 nan 0.000 0.276 2105 P C -2.667 174.385 177.300 -0.414 0.000 1.244 2105 P CA -1.473 61.108 63.100 -0.864 0.000 0.801 2105 P CB 0.280 31.592 31.700 -0.646 0.000 1.006 2106 P HA 0.152 nan 4.420 nan 0.000 0.281 2106 P C 0.668 177.859 177.300 -0.180 0.000 1.249 2106 P CA -0.209 62.764 63.100 -0.212 0.000 0.810 2106 P CB 0.159 31.756 31.700 -0.173 0.000 1.008 2107 T N 0.787 115.290 114.554 -0.086 0.000 2.597 2107 T HA -0.286 4.064 4.350 0.001 0.000 0.267 2107 T C 1.652 176.228 174.700 -0.206 0.000 1.053 2107 T CA 1.960 64.028 62.100 -0.053 0.000 1.165 2107 T CB -0.742 68.202 68.868 0.127 0.000 0.863 2107 T HN 0.415 nan 8.240 nan 0.000 0.427 2108 K N 1.349 121.642 120.400 -0.179 0.000 2.077 2108 K HA -0.134 4.187 4.320 0.001 0.000 0.213 2108 K C 2.101 178.485 176.600 -0.359 0.000 1.051 2108 K CA 1.653 57.732 56.287 -0.347 0.000 0.929 2108 K CB -0.746 31.717 32.500 -0.061 0.000 0.715 2108 K HN 0.439 nan 8.250 nan 0.000 0.451 2109 L N -0.334 120.732 121.223 -0.260 0.000 2.162 2109 L HA 0.006 4.347 4.340 0.001 0.000 0.205 2109 L C 2.286 178.999 176.870 -0.262 0.000 1.086 2109 L CA 0.273 54.971 54.840 -0.236 0.000 0.778 2109 L CB -0.375 41.560 42.059 -0.207 0.000 0.928 2109 L HN 0.218 nan 8.230 nan 0.000 0.446 2110 L N -0.342 120.718 121.223 -0.271 0.000 2.083 2110 L HA -0.133 4.207 4.340 0.001 0.000 0.209 2110 L C 2.331 179.047 176.870 -0.257 0.000 1.083 2110 L CA 1.620 56.327 54.840 -0.221 0.000 0.752 2110 L CB -0.365 41.588 42.059 -0.177 0.000 0.899 2110 L HN -0.085 nan 8.230 nan 0.000 0.433 2111 V N -1.020 118.685 119.914 -0.347 0.000 2.295 2111 V HA -0.301 3.819 4.120 0.001 0.000 0.246 2111 V C 2.759 178.474 176.094 -0.632 0.000 1.049 2111 V CA 1.860 63.881 62.300 -0.464 0.000 1.024 2111 V CB -0.923 30.527 31.823 -0.621 0.000 0.648 2111 V HN 0.654 nan 8.190 nan 0.000 0.447 2112 S N -0.564 114.729 115.700 -0.677 0.000 2.372 2112 S HA -0.277 4.193 4.470 0.001 0.000 0.227 2112 S C 2.000 176.387 174.600 -0.355 0.000 1.044 2112 S CA 1.893 59.723 58.200 -0.617 0.000 1.050 2112 S CB -0.343 62.672 63.200 -0.310 0.000 0.901 2112 S HN 0.624 nan 8.310 nan 0.000 0.447 2113 E N 0.229 120.281 120.200 -0.247 0.000 2.347 2113 E HA -0.020 4.331 4.350 0.001 0.000 0.196 2113 E C 2.052 178.563 176.600 -0.148 0.000 1.008 2113 E CA 0.635 56.947 56.400 -0.147 0.000 0.852 2113 E CB -0.105 29.537 29.700 -0.097 0.000 0.783 2113 E HN 0.505 nan 8.360 nan 0.000 0.505 2114 V N 0.661 120.452 119.914 -0.204 0.000 2.426 2114 V HA -0.055 4.066 4.120 0.001 0.000 0.242 2114 V C 2.413 178.398 176.094 -0.182 0.000 1.036 2114 V CA 1.291 63.477 62.300 -0.189 0.000 1.044 2114 V CB -0.722 30.985 31.823 -0.195 0.000 0.688 2114 V HN 0.174 nan 8.190 nan 0.000 0.462 2115 A N 0.341 123.020 122.820 -0.233 0.000 1.917 2115 A HA -0.316 4.005 4.320 0.001 0.000 0.219 2115 A C 2.308 179.851 177.584 -0.067 0.000 1.182 2115 A CA 2.496 54.441 52.037 -0.154 0.000 0.633 2115 A CB -0.571 18.288 19.000 -0.234 0.000 0.819 2115 A HN 0.512 nan 8.150 nan 0.000 0.448 2116 K N -0.413 119.937 120.400 -0.085 0.000 2.103 2116 K HA -0.102 4.219 4.320 0.001 0.000 0.207 2116 K C 1.797 178.397 176.600 -0.000 0.000 1.048 2116 K CA 1.509 57.781 56.287 -0.025 0.000 0.930 2116 K CB -0.268 32.212 32.500 -0.034 0.000 0.716 2116 K HN 0.537 nan 8.250 nan 0.000 0.444 2117 I N 0.438 120.993 120.570 -0.025 0.000 2.252 2117 I HA -0.279 3.892 4.170 0.001 0.000 0.245 2117 I C 2.257 178.438 176.117 0.107 0.000 1.102 2117 I CA 1.349 62.656 61.300 0.011 0.000 1.385 2117 I CB -0.200 37.765 38.000 -0.059 0.000 1.064 2117 I HN 0.323 nan 8.210 nan 0.000 0.414 2118 M N -0.469 119.171 119.600 0.068 0.000 2.334 2118 M HA -0.135 4.346 4.480 0.001 0.000 0.266 2118 M C 2.217 178.644 176.300 0.212 0.000 1.082 2118 M CA 1.029 56.466 55.300 0.228 0.000 1.141 2118 M CB -0.363 32.286 32.600 0.082 0.000 1.380 2118 M HN 0.163 nan 8.290 nan 0.000 0.440 2119 Q N 1.238 121.108 119.800 0.117 0.000 2.364 2119 Q HA -0.150 4.191 4.340 0.001 0.000 0.207 2119 Q C 1.076 177.130 176.000 0.090 0.000 0.970 2119 Q CA 1.405 57.267 55.803 0.097 0.000 0.888 2119 Q CB 0.116 28.898 28.738 0.073 0.000 0.951 2119 Q HN 0.606 nan 8.270 nan 0.000 0.469 2120 E N -0.789 119.470 120.200 0.099 0.000 2.276 2120 E HA 0.054 4.404 4.350 0.001 0.000 0.193 2120 E C 1.689 178.334 176.600 0.075 0.000 0.983 2120 E CA 0.490 56.937 56.400 0.077 0.000 0.861 2120 E CB 0.178 29.919 29.700 0.068 0.000 0.817 2120 E HN 0.353 nan 8.360 nan 0.000 0.485 2121 A N 0.935 123.823 122.820 0.112 0.000 2.067 2121 A HA -0.108 4.213 4.320 0.001 0.000 0.219 2121 A C 2.198 179.791 177.584 0.013 0.000 1.158 2121 A CA 1.316 53.371 52.037 0.030 0.000 0.661 2121 A CB -0.445 18.531 19.000 -0.040 0.000 0.801 2121 A HN 0.099 nan 8.150 nan 0.000 0.452 2122 T N -0.802 113.789 114.554 0.062 0.000 2.623 2122 T HA -0.120 4.231 4.350 0.001 0.000 0.254 2122 T C 1.907 176.632 174.700 0.041 0.000 1.075 2122 T CA 1.358 63.491 62.100 0.056 0.000 1.177 2122 T CB -0.230 68.686 68.868 0.080 0.000 0.869 2122 T HN 0.532 nan 8.240 nan 0.000 0.403 2123 Q N 0.942 120.769 119.800 0.045 0.000 2.515 2123 Q HA 0.080 4.421 4.340 0.001 0.000 0.212 2123 Q C 0.350 176.366 176.000 0.025 0.000 0.970 2123 Q CA 0.017 55.842 55.803 0.036 0.000 0.941 2123 Q CB 0.042 28.803 28.738 0.039 0.000 0.998 2123 Q HN 0.246 nan 8.270 nan 0.000 0.518 2124 S N -1.279 114.433 115.700 0.020 0.000 2.565 2124 S HA 0.616 5.086 4.470 0.001 0.000 0.290 2124 S C -0.120 174.480 174.600 0.000 0.000 1.150 2124 S CA -0.568 57.638 58.200 0.010 0.000 1.058 2124 S CB 1.436 64.641 63.200 0.008 0.000 1.032 2124 S HN 0.358 nan 8.310 nan 0.000 0.510 2125 G N 0.655 109.454 108.800 -0.002 0.000 2.420 2125 G HA2 0.493 4.454 3.960 0.001 0.000 0.284 2125 G HA3 0.493 4.454 3.960 0.001 0.000 0.284 2125 G C 0.974 175.865 174.900 -0.015 0.000 1.177 2125 G CA -0.035 45.062 45.100 -0.006 0.000 0.841 2125 G HN 1.739 nan 8.290 nan 0.000 0.527 2126 G N -1.251 107.537 108.800 -0.019 0.000 2.179 2126 G HA2 0.033 3.993 3.960 0.001 0.000 0.260 2126 G HA3 0.033 3.993 3.960 0.001 0.000 0.260 2126 G C 0.337 175.213 174.900 -0.040 0.000 0.977 2126 G CA 0.983 46.067 45.100 -0.026 0.000 0.641 2126 G HN 2.211 nan 8.290 nan 0.000 0.533 2127 V N -2.018 117.867 119.914 -0.048 0.000 2.841 2127 V HA 0.917 5.037 4.120 0.001 0.000 0.310 2127 V C -0.017 176.025 176.094 -0.086 0.000 1.090 2127 V CA -0.713 61.539 62.300 -0.079 0.000 0.930 2127 V CB 1.626 33.389 31.823 -0.100 0.000 1.014 2127 V HN 0.948 nan 8.190 nan 0.000 0.425 2128 R N 3.561 123.992 120.500 -0.115 0.000 2.500 2128 R HA 0.786 5.127 4.340 0.001 0.000 0.275 2128 R C -2.599 173.599 176.300 -0.171 0.000 1.051 2128 R CA -1.460 54.579 56.100 -0.102 0.000 1.088 2128 R CB 0.326 30.574 30.300 -0.087 0.000 1.063 2128 R HN 0.546 nan 8.270 nan 0.000 0.511 2129 P HA 0.069 nan 4.420 nan 0.000 0.274 2129 P C -0.898 176.328 177.300 -0.125 0.000 1.260 2129 P CA -0.359 62.699 63.100 -0.070 0.000 0.793 2129 P CB 0.294 32.039 31.700 0.075 0.000 1.048 2130 F N -0.959 119.022 119.950 0.052 0.000 2.418 2130 F HA 0.368 4.895 4.527 0.001 0.000 0.341 2130 F C 1.815 177.661 175.800 0.076 0.000 1.120 2130 F CA 0.146 58.180 58.000 0.057 0.000 1.232 2130 F CB 0.093 39.125 39.000 0.054 0.000 1.175 2130 F HN 0.272 nan 8.300 nan 0.000 0.569 2131 G N 1.788 110.739 108.800 0.251 0.000 3.709 2131 G HA2 0.436 4.396 3.960 0.001 0.000 0.272 2131 G HA3 0.436 4.396 3.960 0.001 0.000 0.272 2131 G C -0.878 174.151 174.900 0.215 0.000 1.259 2131 G CA -0.074 45.142 45.100 0.193 0.000 1.512 2131 G HN 0.575 nan 8.290 nan 0.000 0.625 2132 V N -3.632 116.425 119.914 0.237 0.000 2.932 2132 V HA 0.800 4.921 4.120 0.001 0.000 0.307 2132 V C -0.578 175.628 176.094 0.186 0.000 1.147 2132 V CA -0.999 61.441 62.300 0.233 0.000 0.951 2132 V CB 1.763 33.745 31.823 0.266 0.000 1.031 2132 V HN -0.010 nan 8.190 nan 0.000 0.426 2133 S N 3.804 119.602 115.700 0.162 0.000 2.489 2133 S HA 0.809 5.280 4.470 0.001 0.000 0.291 2133 S C -0.485 174.199 174.600 0.140 0.000 1.151 2133 S CA -0.594 57.688 58.200 0.137 0.000 1.082 2133 S CB 1.038 64.308 63.200 0.118 0.000 1.019 2133 S HN 0.714 nan 8.310 nan 0.000 0.492 2134 L N 3.759 125.061 121.223 0.132 0.000 2.325 2134 L HA 0.579 4.920 4.340 0.001 0.000 0.278 2134 L C -0.920 176.030 176.870 0.134 0.000 1.023 2134 L CA -0.726 54.201 54.840 0.145 0.000 0.811 2134 L CB 1.250 43.388 42.059 0.132 0.000 1.249 2134 L HN 0.394 nan 8.230 nan 0.000 0.431 2135 L N 4.650 125.950 121.223 0.129 0.000 2.294 2135 L HA 0.526 4.867 4.340 0.001 0.000 0.283 2135 L C -0.596 176.372 176.870 0.164 0.000 1.015 2135 L CA -0.280 54.640 54.840 0.134 0.000 0.831 2135 L CB 1.621 43.724 42.059 0.074 0.000 1.217 2135 L HN 0.469 nan 8.230 nan 0.000 0.420 2136 I N 3.085 123.771 120.570 0.193 0.000 2.354 2136 I HA 0.609 4.779 4.170 0.001 0.000 0.292 2136 I C 0.123 176.380 176.117 0.233 0.000 0.989 2136 I CA -0.269 61.145 61.300 0.190 0.000 1.188 2136 I CB 1.881 39.964 38.000 0.137 0.000 1.342 2136 I HN 0.628 nan 8.210 nan 0.000 0.457 2137 A N 4.678 127.631 122.820 0.222 0.000 2.365 2137 A HA 0.992 5.313 4.320 0.001 0.000 0.318 2137 A C -0.219 177.521 177.584 0.259 0.000 1.091 2137 A CA -0.429 51.753 52.037 0.241 0.000 0.763 2137 A CB 1.686 20.811 19.000 0.208 0.000 1.248 2137 A HN 0.871 nan 8.150 nan 0.000 0.442 2138 G N 0.223 109.199 108.800 0.294 0.000 2.441 2138 G HA2 0.504 4.465 3.960 0.001 0.000 0.294 2138 G HA3 0.504 4.465 3.960 0.001 0.000 0.294 2138 G C -1.896 173.192 174.900 0.313 0.000 1.393 2138 G CA -0.531 44.740 45.100 0.285 0.000 0.796 2138 G HN 1.133 nan 8.290 nan 0.000 0.494 2139 H N 0.818 119.942 119.070 0.090 0.000 2.924 2139 H HA 0.427 4.983 4.556 0.001 0.000 0.333 2139 H C -1.373 173.907 175.328 -0.081 0.000 0.979 2139 H CA -0.441 55.546 56.048 -0.101 0.000 1.326 2139 H CB 1.891 31.444 29.762 -0.349 0.000 1.600 2139 H HN 0.732 nan 8.280 nan 0.000 0.520 2140 D N 3.184 123.270 120.400 -0.523 0.000 2.269 2140 D HA 0.045 4.686 4.640 0.001 0.000 0.244 2140 D C 0.620 176.617 176.300 -0.505 0.000 0.992 2140 D CA -0.640 53.149 54.000 -0.353 0.000 0.894 2140 D CB 2.367 43.082 40.800 -0.142 0.000 1.248 2140 D HN 0.592 nan 8.370 nan 0.000 0.468 2141 E N 0.553 120.648 120.200 -0.175 0.000 2.160 2141 E HA -0.173 4.177 4.350 0.001 0.000 0.195 2141 E C 0.821 177.342 176.600 -0.131 0.000 0.991 2141 E CA 1.213 57.552 56.400 -0.102 0.000 0.810 2141 E CB 0.052 29.799 29.700 0.078 0.000 0.742 2141 E HN 0.478 nan 8.360 nan 0.000 0.466 2142 F N 0.210 120.072 119.950 -0.147 0.000 2.437 2142 F HA 0.086 4.613 4.527 0.001 0.000 0.288 2142 F C 1.887 177.636 175.800 -0.086 0.000 1.085 2142 F CA 0.378 58.324 58.000 -0.089 0.000 1.430 2142 F CB 0.169 39.135 39.000 -0.056 0.000 1.120 2142 F HN -0.053 nan 8.300 nan 0.000 0.556 2143 N N -0.128 118.603 118.700 0.052 0.000 2.336 2143 N HA 0.189 4.930 4.740 0.001 0.000 0.189 2143 N C 1.311 176.803 175.510 -0.030 0.000 1.113 2143 N CA 0.900 53.968 53.050 0.029 0.000 0.858 2143 N CB 0.122 38.642 38.487 0.054 0.000 0.970 2143 N HN 0.310 nan 8.380 nan 0.000 0.471 2144 G N 1.100 109.792 108.800 -0.181 0.000 2.547 2144 G HA2 -0.315 3.646 3.960 0.001 0.000 0.271 2144 G HA3 -0.315 3.646 3.960 0.001 0.000 0.271 2144 G C -0.330 174.448 174.900 -0.203 0.000 1.209 2144 G CA -0.233 44.737 45.100 -0.217 0.000 0.959 2144 G HN 0.168 nan 8.290 nan 0.000 0.563 2145 F N 2.072 122.151 119.950 0.214 0.000 2.380 2145 F HA 0.618 5.146 4.527 0.001 0.000 0.325 2145 F C 1.144 177.027 175.800 0.138 0.000 1.136 2145 F CA 0.594 58.720 58.000 0.210 0.000 1.171 2145 F CB 1.920 41.040 39.000 0.200 0.000 1.230 2145 F HN 1.037 nan 8.300 nan 0.000 0.554 2146 S N 1.505 117.419 115.700 0.357 0.000 2.565 2146 S HA 0.662 5.133 4.470 0.001 0.000 0.274 2146 S C -1.899 172.817 174.600 0.193 0.000 1.144 2146 S CA -0.942 57.376 58.200 0.197 0.000 0.849 2146 S CB 1.606 64.925 63.200 0.199 0.000 1.103 2146 S HN 0.701 nan 8.310 nan 0.000 0.455 2147 L N 1.399 122.642 121.223 0.033 0.000 2.438 2147 L HA 0.801 5.142 4.340 0.001 0.000 0.270 2147 L C -2.210 174.665 176.870 0.008 0.000 0.972 2147 L CA -0.255 54.651 54.840 0.110 0.000 0.831 2147 L CB 1.328 43.457 42.059 0.117 0.000 1.273 2147 L HN 0.865 nan 8.230 nan 0.000 0.405 2148 Y N 2.463 122.891 120.300 0.213 0.000 2.524 2148 Y HA 0.619 5.169 4.550 0.001 0.000 0.344 2148 Y C -0.260 175.804 175.900 0.274 0.000 1.012 2148 Y CA -0.363 57.886 58.100 0.249 0.000 1.068 2148 Y CB 2.053 40.623 38.460 0.183 0.000 1.249 2148 Y HN 0.596 nan 8.280 nan 0.000 0.468 2149 Q N 1.663 121.776 119.800 0.522 0.000 2.312 2149 Q HA 0.740 5.081 4.340 0.001 0.000 0.263 2149 Q C -1.995 174.131 176.000 0.210 0.000 0.995 2149 Q CA -0.799 55.239 55.803 0.393 0.000 0.853 2149 Q CB 1.819 30.909 28.738 0.586 0.000 1.300 2149 Q HN 0.591 nan 8.270 nan 0.000 0.448 2150 V N 3.572 123.565 119.914 0.132 0.000 2.531 2150 V HA 0.334 4.455 4.120 0.001 0.000 0.301 2150 V C -0.810 175.320 176.094 0.061 0.000 1.034 2150 V CA -0.823 61.498 62.300 0.035 0.000 0.865 2150 V CB 1.902 33.726 31.823 0.002 0.000 0.995 2150 V HN 0.820 nan 8.190 nan 0.000 0.424 2151 D N 5.077 125.499 120.400 0.037 0.000 2.332 2151 D HA 0.430 5.071 4.640 0.001 0.000 0.252 2151 D C -1.643 174.726 176.300 0.114 0.000 1.050 2151 D CA -1.882 52.188 54.000 0.117 0.000 0.970 2151 D CB 1.937 42.845 40.800 0.181 0.000 1.141 2151 D HN 0.177 nan 8.370 nan 0.000 0.485 2152 P HA -0.145 nan 4.420 nan 0.000 0.217 2152 P C 0.946 178.340 177.300 0.157 0.000 1.148 2152 P CA 1.388 64.594 63.100 0.177 0.000 0.828 2152 P CB 0.107 31.912 31.700 0.174 0.000 0.783 2153 S N -2.061 113.720 115.700 0.136 0.000 2.507 2153 S HA 0.057 4.527 4.470 0.001 0.000 0.235 2153 S C 1.843 176.508 174.600 0.108 0.000 0.988 2153 S CA 0.907 59.181 58.200 0.122 0.000 0.944 2153 S CB -1.370 61.907 63.200 0.129 0.000 0.762 2153 S HN 0.326 nan 8.310 nan 0.000 0.526 2154 G N 0.491 109.350 108.800 0.098 0.000 2.176 2154 G HA2 -0.265 3.696 3.960 0.001 0.000 0.253 2154 G HA3 -0.265 3.696 3.960 0.001 0.000 0.253 2154 G C 0.205 175.162 174.900 0.095 0.000 0.979 2154 G CA 0.162 45.312 45.100 0.083 0.000 0.641 2154 G HN 0.623 nan 8.290 nan 0.000 0.530 2155 S N 0.072 115.806 115.700 0.056 0.000 2.585 2155 S HA 0.641 5.111 4.470 0.001 0.000 0.273 2155 S C -0.261 174.173 174.600 -0.276 0.000 1.339 2155 S CA 0.490 58.666 58.200 -0.040 0.000 1.028 2155 S CB 0.649 63.874 63.200 0.041 0.000 0.906 2155 S HN 1.125 nan 8.310 nan 0.000 0.528 2156 Y N -0.484 119.438 120.300 -0.630 0.000 2.513 2156 Y HA 0.776 5.327 4.550 0.001 0.000 0.340 2156 Y C -1.580 173.966 175.900 -0.590 0.000 1.055 2156 Y CA -1.666 56.002 58.100 -0.720 0.000 1.020 2156 Y CB 0.725 39.034 38.460 -0.252 0.000 1.301 2156 Y HN 0.474 nan 8.280 nan 0.000 0.453 2157 F N 1.509 121.593 119.950 0.224 0.000 2.576 2157 F HA 0.786 5.313 4.527 0.001 0.000 0.313 2157 F C -2.846 172.955 175.800 0.002 0.000 1.078 2157 F CA -2.930 55.065 58.000 -0.009 0.000 0.921 2157 F CB 2.147 41.044 39.000 -0.171 0.000 1.232 2157 F HN 0.198 nan 8.300 nan 0.000 0.459 2158 P HA 0.251 nan 4.420 nan 0.000 0.292 2158 P C -1.605 175.449 177.300 -0.411 0.000 1.287 2158 P CA -0.478 62.368 63.100 -0.424 0.000 0.800 2158 P CB 0.665 32.112 31.700 -0.420 0.000 0.945 2159 W N 2.273 123.448 121.300 -0.207 0.000 2.736 2159 W HA 0.419 5.080 4.660 0.001 0.000 0.335 2159 W C 1.313 177.691 176.519 -0.235 0.000 1.059 2159 W CA -0.452 56.789 57.345 -0.173 0.000 1.226 2159 W CB 2.116 31.513 29.460 -0.105 0.000 1.416 2159 W HN 0.294 nan 8.180 nan 0.000 0.505 2160 K N 2.049 122.406 120.400 -0.071 0.000 2.167 2160 K HA 0.310 4.631 4.320 0.001 0.000 0.203 2160 K C 0.335 176.680 176.600 -0.424 0.000 1.052 2160 K CA 0.995 57.043 56.287 -0.398 0.000 0.956 2160 K CB 0.196 32.090 32.500 -1.009 0.000 0.735 2160 K HN 0.374 nan 8.250 nan 0.000 0.451 2161 A N -0.107 122.573 122.820 -0.232 0.000 2.585 2161 A HA 0.466 4.787 4.320 0.001 0.000 0.299 2161 A C -0.866 176.549 177.584 -0.282 0.000 1.047 2161 A CA -0.635 51.270 52.037 -0.221 0.000 0.723 2161 A CB 1.416 20.227 19.000 -0.315 0.000 1.275 2161 A HN -0.048 nan 8.150 nan 0.000 0.408 2162 T N -0.613 113.695 114.554 -0.410 0.000 2.693 2162 T HA 0.899 5.249 4.350 0.001 0.000 0.304 2162 T C -1.321 173.131 174.700 -0.413 0.000 1.471 2162 T CA 0.525 62.223 62.100 -0.669 0.000 0.993 2162 T CB 1.324 69.233 68.868 -1.598 0.000 1.554 2162 T HN 2.529 nan 8.240 nan 0.000 0.496 2163 A N 1.188 123.776 122.820 -0.386 0.000 2.556 2163 A HA 0.924 5.244 4.320 0.001 0.000 0.294 2163 A C -1.131 176.324 177.584 -0.215 0.000 1.091 2163 A CA -0.804 51.091 52.037 -0.237 0.000 0.704 2163 A CB 1.160 20.063 19.000 -0.163 0.000 1.300 2163 A HN 1.236 nan 8.150 nan 0.000 0.406 2164 I N -1.891 118.589 120.570 -0.150 0.000 2.865 2164 I HA 0.919 5.090 4.170 0.001 0.000 0.302 2164 I C 0.244 176.304 176.117 -0.094 0.000 1.140 2164 I CA -0.279 60.959 61.300 -0.104 0.000 1.021 2164 I CB 1.952 39.911 38.000 -0.068 0.000 1.233 2164 I HN 1.997 nan 8.210 nan 0.000 0.427 2165 G N 3.907 112.667 108.800 -0.067 0.000 2.500 2165 G HA2 -0.181 3.779 3.960 0.001 0.000 0.209 2165 G HA3 -0.181 3.779 3.960 0.001 0.000 0.209 2165 G C -0.040 174.824 174.900 -0.060 0.000 1.283 2165 G CA 0.016 45.075 45.100 -0.069 0.000 0.960 2165 G HN 0.896 nan 8.290 nan 0.000 0.528 2166 K N 0.178 120.541 120.400 -0.061 0.000 1.973 2166 K HA 0.088 4.408 4.320 0.001 0.000 0.212 2166 K C 2.615 179.178 176.600 -0.061 0.000 1.047 2166 K CA 1.602 57.857 56.287 -0.052 0.000 0.937 2166 K CB -0.516 31.953 32.500 -0.050 0.000 0.721 2166 K HN 0.890 nan 8.250 nan 0.000 0.440 2167 G N 0.877 109.631 108.800 -0.076 0.000 2.740 2167 G HA2 -0.219 3.741 3.960 0.001 0.000 0.208 2167 G HA3 -0.219 3.741 3.960 0.001 0.000 0.208 2167 G C 1.272 176.122 174.900 -0.082 0.000 1.148 2167 G CA 0.668 45.718 45.100 -0.084 0.000 0.795 2167 G HN 0.303 nan 8.290 nan 0.000 0.526 2168 S N -0.079 115.575 115.700 -0.078 0.000 2.381 2168 S HA -0.223 4.248 4.470 0.001 0.000 0.230 2168 S C 2.414 176.970 174.600 -0.073 0.000 1.052 2168 S CA 2.178 60.327 58.200 -0.084 0.000 1.068 2168 S CB -0.270 62.887 63.200 -0.072 0.000 0.918 2168 S HN 0.199 nan 8.310 nan 0.000 0.448 2169 V N 2.113 121.995 119.914 -0.053 0.000 2.346 2169 V HA 0.060 4.181 4.120 0.001 0.000 0.244 2169 V C 3.017 179.095 176.094 -0.026 0.000 1.037 2169 V CA 1.419 63.697 62.300 -0.037 0.000 1.029 2169 V CB -1.706 30.100 31.823 -0.027 0.000 0.663 2169 V HN 0.641 nan 8.190 nan 0.000 0.454 2170 A N 0.668 123.469 122.820 -0.032 0.000 1.865 2170 A HA -0.180 4.140 4.320 0.001 0.000 0.217 2170 A C 2.424 180.009 177.584 0.001 0.000 1.191 2170 A CA 2.630 54.654 52.037 -0.022 0.000 0.623 2170 A CB -1.010 17.958 19.000 -0.053 0.000 0.826 2170 A HN 0.599 nan 8.150 nan 0.000 0.444 2171 A N -1.023 121.776 122.820 -0.034 0.000 1.930 2171 A HA -0.099 4.222 4.320 0.001 0.000 0.217 2171 A C 2.137 179.740 177.584 0.032 0.000 1.175 2171 A CA 1.680 53.707 52.037 -0.016 0.000 0.627 2171 A CB -0.399 18.554 19.000 -0.079 0.000 0.815 2171 A HN 0.484 nan 8.150 nan 0.000 0.443 2172 K N -0.915 119.467 120.400 -0.030 0.000 2.147 2172 K HA -0.111 4.210 4.320 0.001 0.000 0.205 2172 K C 1.924 178.527 176.600 0.004 0.000 1.049 2172 K CA 1.693 57.946 56.287 -0.057 0.000 0.936 2172 K CB -0.234 32.203 32.500 -0.105 0.000 0.722 2172 K HN 0.472 nan 8.250 nan 0.000 0.446 2173 T N 0.310 114.886 114.554 0.036 0.000 2.904 2173 T HA -0.088 4.262 4.350 0.001 0.000 0.267 2173 T C 1.296 176.045 174.700 0.081 0.000 1.059 2173 T CA 0.698 62.827 62.100 0.048 0.000 1.137 2173 T CB -0.170 68.725 68.868 0.044 0.000 0.879 2173 T HN 0.214 nan 8.240 nan 0.000 0.467 2174 F N 1.222 121.158 119.950 -0.023 0.000 2.325 2174 F HA 0.135 4.663 4.527 0.001 0.000 0.299 2174 F C 1.700 177.507 175.800 0.012 0.000 1.090 2174 F CA 0.874 58.867 58.000 -0.012 0.000 1.392 2174 F CB -0.186 38.795 39.000 -0.031 0.000 1.053 2174 F HN 0.056 nan 8.300 nan 0.000 0.521 2175 L N -0.215 121.085 121.223 0.130 0.000 2.179 2175 L HA -0.113 4.227 4.340 0.001 0.000 0.208 2175 L C 2.256 179.158 176.870 0.054 0.000 1.096 2175 L CA 1.074 55.964 54.840 0.084 0.000 0.779 2175 L CB -0.621 41.474 42.059 0.060 0.000 0.922 2175 L HN 0.130 nan 8.230 nan 0.000 0.443 2176 E N 0.302 120.519 120.200 0.028 0.000 2.051 2176 E HA -0.261 4.090 4.350 0.001 0.000 0.192 2176 E C 2.090 178.704 176.600 0.023 0.000 0.991 2176 E CA 0.992 57.422 56.400 0.049 0.000 0.799 2176 E CB -0.072 29.648 29.700 0.034 0.000 0.748 2176 E HN 0.293 nan 8.360 nan 0.000 0.449 2177 K N 0.852 121.211 120.400 -0.068 0.000 2.103 2177 K HA -0.154 4.166 4.320 0.001 0.000 0.207 2177 K C 1.948 178.446 176.600 -0.169 0.000 1.048 2177 K CA 1.073 57.280 56.287 -0.133 0.000 0.930 2177 K CB 0.164 32.541 32.500 -0.204 0.000 0.716 2177 K HN -0.057 nan 8.250 nan 0.000 0.444 2178 R N -1.112 119.247 120.500 -0.234 0.000 2.312 2178 R HA 0.006 4.347 4.340 0.001 0.000 0.205 2178 R C -0.219 176.074 176.300 -0.012 0.000 0.904 2178 R CA -0.089 55.890 56.100 -0.202 0.000 1.052 2178 R CB 0.141 30.203 30.300 -0.396 0.000 1.014 2178 R HN 0.146 nan 8.270 nan 0.000 0.503 2179 W N 3.596 124.839 121.300 -0.095 0.000 2.331 2179 W HA 0.124 4.784 4.660 0.001 0.000 0.306 2179 W C -0.347 176.155 176.519 -0.028 0.000 1.162 2179 W CA -0.443 56.878 57.345 -0.040 0.000 1.232 2179 W CB 0.468 29.921 29.460 -0.012 0.000 1.235 2179 W HN 0.027 nan 8.180 nan 0.000 0.479 2180 N N 2.611 120.892 118.700 -0.697 0.000 2.328 2180 N HA 0.216 4.956 4.740 0.001 0.000 0.299 2180 N C -0.235 174.392 175.510 -1.470 0.000 1.179 2180 N CA -0.796 51.794 53.050 -0.766 0.000 0.793 2180 N CB 1.245 39.499 38.487 -0.388 0.000 1.366 2180 N HN 0.399 nan 8.380 nan 0.000 0.493 2181 D N -1.115 118.671 120.400 -1.023 0.000 2.400 2181 D HA -0.012 4.628 4.640 0.001 0.000 0.243 2181 D C -0.432 175.632 176.300 -0.393 0.000 1.184 2181 D CA 0.180 53.712 54.000 -0.780 0.000 0.853 2181 D CB -0.355 40.322 40.800 -0.204 0.000 0.944 2181 D HN 0.773 nan 8.370 nan 0.000 0.501 2182 E N 0.015 119.968 120.200 -0.413 0.000 2.812 2182 E HA 0.196 4.546 4.350 0.001 0.000 0.211 2182 E C 0.065 176.534 176.600 -0.219 0.000 0.986 2182 E CA -0.394 55.866 56.400 -0.233 0.000 1.119 2182 E CB 0.938 30.532 29.700 -0.177 0.000 1.046 2182 E HN 0.266 nan 8.360 nan 0.000 0.474 2183 L N 2.077 123.127 121.223 -0.288 0.000 2.410 2183 L HA 0.134 4.474 4.340 0.001 0.000 0.273 2183 L C 0.848 177.649 176.870 -0.116 0.000 1.152 2183 L CA 0.267 54.987 54.840 -0.201 0.000 0.855 2183 L CB 0.537 42.466 42.059 -0.215 0.000 1.129 2183 L HN 0.155 nan 8.230 nan 0.000 0.463 2184 E N 1.848 121.996 120.200 -0.088 0.000 2.349 2184 E HA 0.004 4.355 4.350 0.001 0.000 0.262 2184 E C 0.669 177.233 176.600 -0.061 0.000 1.088 2184 E CA -0.555 55.803 56.400 -0.070 0.000 0.899 2184 E CB 1.536 31.201 29.700 -0.058 0.000 1.044 2184 E HN 0.497 nan 8.360 nan 0.000 0.420 2185 L N 3.277 124.454 121.223 -0.076 0.000 2.127 2185 L HA -0.161 4.180 4.340 0.001 0.000 0.211 2185 L C 1.848 178.697 176.870 -0.035 0.000 1.089 2185 L CA 1.767 56.561 54.840 -0.076 0.000 0.757 2185 L CB -0.199 41.791 42.059 -0.114 0.000 0.899 2185 L HN 0.539 nan 8.230 nan 0.000 0.434 2186 E N -0.169 120.013 120.200 -0.030 0.000 2.204 2186 E HA -0.172 4.179 4.350 0.001 0.000 0.194 2186 E C 1.732 178.346 176.600 0.023 0.000 0.989 2186 E CA 1.001 57.395 56.400 -0.009 0.000 0.824 2186 E CB -0.107 29.579 29.700 -0.023 0.000 0.756 2186 E HN 0.624 nan 8.360 nan 0.000 0.477 2187 D N 0.088 120.495 120.400 0.012 0.000 2.149 2187 D HA -0.069 4.572 4.640 0.001 0.000 0.201 2187 D C 1.717 178.077 176.300 0.101 0.000 0.972 2187 D CA 1.180 55.208 54.000 0.046 0.000 0.835 2187 D CB -0.062 40.733 40.800 -0.008 0.000 0.966 2187 D HN 0.134 nan 8.370 nan 0.000 0.476 2188 A N 0.580 123.439 122.820 0.065 0.000 2.014 2188 A HA -0.031 4.290 4.320 0.001 0.000 0.218 2188 A C 2.304 179.937 177.584 0.083 0.000 1.163 2188 A CA 0.399 52.491 52.037 0.091 0.000 0.652 2188 A CB -0.446 18.604 19.000 0.084 0.000 0.808 2188 A HN 0.143 nan 8.150 nan 0.000 0.449 2189 I N -1.259 119.350 120.570 0.066 0.000 2.202 2189 I HA -0.254 3.917 4.170 0.001 0.000 0.242 2189 I C 2.514 178.686 176.117 0.092 0.000 1.091 2189 I CA 1.854 63.188 61.300 0.057 0.000 1.368 2189 I CB -0.502 37.520 38.000 0.036 0.000 1.058 2189 I HN 0.564 nan 8.210 nan 0.000 0.410 2190 H N 1.188 120.278 119.070 0.032 0.000 2.319 2190 H HA -0.208 4.348 4.556 0.001 0.000 0.297 2190 H C 1.997 177.376 175.328 0.085 0.000 1.097 2190 H CA 2.127 58.204 56.048 0.048 0.000 1.285 2190 H CB -0.103 29.681 29.762 0.037 0.000 1.368 2190 H HN 0.145 nan 8.280 nan 0.000 0.495 2191 I N 0.658 121.260 120.570 0.053 0.000 2.142 2191 I HA -0.205 3.965 4.170 0.001 0.000 0.240 2191 I C 2.663 178.811 176.117 0.051 0.000 1.078 2191 I CA 1.526 62.873 61.300 0.078 0.000 1.343 2191 I CB -0.795 37.319 38.000 0.190 0.000 1.046 2191 I HN 0.447 nan 8.210 nan 0.000 0.405 2192 A N -0.351 122.502 122.820 0.055 0.000 2.178 2192 A HA -0.098 4.223 4.320 0.001 0.000 0.218 2192 A C 2.226 179.814 177.584 0.006 0.000 1.157 2192 A CA 1.257 53.311 52.037 0.028 0.000 0.689 2192 A CB -0.767 18.252 19.000 0.032 0.000 0.787 2192 A HN 0.436 nan 8.150 nan 0.000 0.465 2193 L N -1.111 120.113 121.223 0.001 0.000 2.102 2193 L HA -0.028 4.312 4.340 0.001 0.000 0.202 2193 L C 2.429 179.309 176.870 0.018 0.000 1.076 2193 L CA 0.559 55.440 54.840 0.070 0.000 0.761 2193 L CB -0.438 41.662 42.059 0.069 0.000 0.921 2193 L HN 0.350 nan 8.230 nan 0.000 0.444 2194 L N -0.672 120.471 121.223 -0.133 0.000 1.989 2194 L HA -0.224 4.116 4.340 0.001 0.000 0.211 2194 L C 2.624 179.244 176.870 -0.417 0.000 1.071 2194 L CA 1.704 56.393 54.840 -0.252 0.000 0.749 2194 L CB -1.262 40.649 42.059 -0.247 0.000 0.890 2194 L HN 0.262 nan 8.230 nan 0.000 0.431 2195 T N 0.357 114.654 114.554 -0.428 0.000 2.721 2195 T HA -0.221 4.129 4.350 0.001 0.000 0.268 2195 T C 1.777 176.277 174.700 -0.334 0.000 1.038 2195 T CA 1.488 63.304 62.100 -0.473 0.000 1.145 2195 T CB -0.230 68.531 68.868 -0.180 0.000 0.858 2195 T HN 0.056 nan 8.240 nan 0.000 0.459 2196 L N 0.436 121.519 121.223 -0.232 0.000 2.375 2196 L HA 0.269 4.609 4.340 0.001 0.000 0.215 2196 L C 2.168 178.775 176.870 -0.439 0.000 1.108 2196 L CA 1.318 56.039 54.840 -0.199 0.000 0.830 2196 L CB -0.391 41.666 42.059 -0.002 0.000 0.959 2196 L HN 0.090 nan 8.230 nan 0.000 0.457 2197 K N -0.790 119.227 120.400 -0.639 0.000 2.217 2197 K HA -0.095 4.225 4.320 0.001 0.000 0.202 2197 K C 1.501 177.730 176.600 -0.618 0.000 1.051 2197 K CA 0.813 56.461 56.287 -1.066 0.000 0.952 2197 K CB 0.322 32.339 32.500 -0.805 0.000 0.736 2197 K HN 0.230 nan 8.250 nan 0.000 0.453 2198 E N -0.012 119.924 120.200 -0.441 0.000 2.170 2198 E HA -0.083 4.267 4.350 0.001 0.000 0.191 2198 E C 1.936 178.383 176.600 -0.255 0.000 0.981 2198 E CA 1.122 57.332 56.400 -0.317 0.000 0.830 2198 E CB 0.219 29.734 29.700 -0.308 0.000 0.775 2198 E HN 0.349 nan 8.360 nan 0.000 0.470 2199 S N 0.589 116.132 115.700 -0.261 0.000 2.439 2199 S HA 0.005 4.476 4.470 0.001 0.000 0.224 2199 S C 1.271 175.767 174.600 -0.173 0.000 1.029 2199 S CA 0.043 58.130 58.200 -0.189 0.000 0.946 2199 S CB -0.283 62.817 63.200 -0.168 0.000 0.797 2199 S HN 0.039 nan 8.310 nan 0.000 0.504 2200 V N 2.861 122.639 119.914 -0.226 0.000 2.901 2200 V HA -0.126 3.994 4.120 0.001 0.000 0.290 2200 V C 1.020 177.051 176.094 -0.104 0.000 1.326 2200 V CA 1.150 63.351 62.300 -0.166 0.000 1.395 2200 V CB 0.230 31.907 31.823 -0.243 0.000 0.849 2200 V HN 0.641 nan 8.190 nan 0.000 0.504 2201 E N 4.224 124.388 120.200 -0.059 0.000 2.079 2201 E HA 0.172 4.522 4.350 0.001 0.000 0.191 2201 E C 1.302 177.890 176.600 -0.021 0.000 0.961 2201 E CA 0.804 57.179 56.400 -0.042 0.000 0.823 2201 E CB -0.027 29.652 29.700 -0.034 0.000 0.789 2201 E HN 0.888 nan 8.360 nan 0.000 0.459 2202 G N 1.095 109.894 108.800 -0.001 0.000 2.783 2202 G HA2 0.079 4.039 3.960 0.001 0.000 0.182 2202 G HA3 0.079 4.039 3.960 0.001 0.000 0.182 2202 G C 0.193 175.115 174.900 0.037 0.000 1.516 2202 G CA -0.411 44.699 45.100 0.016 0.000 1.079 2202 G HN -0.075 nan 8.290 nan 0.000 0.573 2203 E N -0.890 119.342 120.200 0.054 0.000 2.342 2203 E HA 0.328 4.679 4.350 0.001 0.000 0.257 2203 E C -1.444 175.256 176.600 0.167 0.000 1.150 2203 E CA -0.424 56.026 56.400 0.083 0.000 0.926 2203 E CB 1.601 31.332 29.700 0.052 0.000 1.074 2203 E HN 0.133 nan 8.360 nan 0.000 0.449 2204 F N 2.963 122.896 119.950 -0.027 0.000 2.552 2204 F HA 0.219 4.747 4.527 0.001 0.000 0.369 2204 F C -0.685 175.099 175.800 -0.026 0.000 1.112 2204 F CA -0.598 57.382 58.000 -0.032 0.000 1.129 2204 F CB -0.199 38.777 39.000 -0.041 0.000 1.360 2204 F HN 0.403 nan 8.300 nan 0.000 0.473 2205 N N 0.806 119.341 118.700 -0.275 0.000 3.506 2205 N HA 0.445 5.186 4.740 0.001 0.000 0.331 2205 N C 0.739 176.092 175.510 -0.260 0.000 1.631 2205 N CA -0.393 52.486 53.050 -0.286 0.000 0.786 2205 N CB 0.124 38.535 38.487 -0.127 0.000 2.023 2205 N HN 0.128 nan 8.380 nan 0.000 0.621 2206 G N -1.592 107.107 108.800 -0.168 0.000 2.650 2206 G HA2 -0.055 3.906 3.960 0.001 0.000 0.214 2206 G HA3 -0.055 3.906 3.960 0.001 0.000 0.214 2206 G C 0.095 174.951 174.900 -0.074 0.000 1.136 2206 G CA 0.420 45.447 45.100 -0.121 0.000 0.789 2206 G HN 0.603 nan 8.290 nan 0.000 0.536 2207 D N -0.045 120.319 120.400 -0.060 0.000 2.354 2207 D HA -0.016 4.625 4.640 0.001 0.000 0.209 2207 D C 1.948 178.239 176.300 -0.015 0.000 1.015 2207 D CA 1.244 55.227 54.000 -0.028 0.000 0.867 2207 D CB 0.458 41.246 40.800 -0.019 0.000 0.933 2207 D HN 0.486 nan 8.370 nan 0.000 0.520 2208 T N -2.014 112.526 114.554 -0.024 0.000 3.170 2208 T HA 0.249 4.600 4.350 0.001 0.000 0.288 2208 T C 0.303 175.010 174.700 0.010 0.000 0.992 2208 T CA -0.342 61.761 62.100 0.005 0.000 0.909 2208 T CB 0.561 69.446 68.868 0.029 0.000 1.133 2208 T HN -0.192 nan 8.240 nan 0.000 0.530 2209 I N 1.878 122.431 120.570 -0.029 0.000 2.465 2209 I HA 0.518 4.689 4.170 0.001 0.000 0.291 2209 I C -0.348 175.758 176.117 -0.018 0.000 1.014 2209 I CA -1.019 60.268 61.300 -0.021 0.000 1.093 2209 I CB 1.877 39.824 38.000 -0.089 0.000 1.267 2209 I HN 0.256 nan 8.210 nan 0.000 0.431 2210 E N 5.781 125.981 120.200 0.001 0.000 2.176 2210 E HA 0.621 4.972 4.350 0.001 0.000 0.267 2210 E C -1.311 175.289 176.600 0.001 0.000 0.893 2210 E CA -0.668 55.738 56.400 0.009 0.000 0.761 2210 E CB 3.084 32.807 29.700 0.038 0.000 1.133 2210 E HN 0.356 nan 8.360 nan 0.000 0.409 2211 L N 2.318 123.532 121.223 -0.014 0.000 2.436 2211 L HA 0.733 5.073 4.340 0.001 0.000 0.268 2211 L C -1.442 175.386 176.870 -0.071 0.000 0.974 2211 L CA -0.385 54.436 54.840 -0.031 0.000 0.826 2211 L CB 1.681 43.718 42.059 -0.036 0.000 1.291 2211 L HN 0.676 nan 8.230 nan 0.000 0.406 2212 A N 4.967 127.727 122.820 -0.099 0.000 2.423 2212 A HA 0.904 5.224 4.320 0.001 0.000 0.304 2212 A C -1.100 176.351 177.584 -0.223 0.000 1.104 2212 A CA -0.615 51.269 52.037 -0.256 0.000 0.757 2212 A CB 1.614 20.407 19.000 -0.344 0.000 1.313 2212 A HN 0.764 nan 8.150 nan 0.000 0.423 2213 I N -1.811 118.574 120.570 -0.309 0.000 3.042 2213 I HA 0.693 4.864 4.170 0.001 0.000 0.310 2213 I C -1.496 174.531 176.117 -0.149 0.000 1.117 2213 I CA -1.082 60.115 61.300 -0.172 0.000 1.003 2213 I CB 2.105 40.031 38.000 -0.123 0.000 1.228 2213 I HN 0.326 nan 8.210 nan 0.000 0.443 2214 I N 3.490 124.052 120.570 -0.012 0.000 2.595 2214 I HA 0.481 4.651 4.170 0.001 0.000 0.275 2214 I C 0.473 176.697 176.117 0.178 0.000 1.092 2214 I CA 0.000 61.382 61.300 0.136 0.000 1.145 2214 I CB -0.023 38.148 38.000 0.286 0.000 1.276 2214 I HN 0.977 nan 8.210 nan 0.000 0.497 2215 G N 4.085 112.947 108.800 0.102 0.000 3.341 2215 G HA2 0.301 4.262 3.960 0.001 0.000 0.177 2215 G HA3 0.301 4.262 3.960 0.001 0.000 0.177 2215 G C -0.387 174.577 174.900 0.107 0.000 1.236 2215 G CA -0.176 44.968 45.100 0.074 0.000 0.888 2215 G HN 0.311 nan 8.290 nan 0.000 0.644 2216 D N 1.380 121.806 120.400 0.044 0.000 2.362 2216 D HA 0.203 4.843 4.640 0.001 0.000 0.238 2216 D C 0.366 176.672 176.300 0.010 0.000 1.212 2216 D CA 0.339 54.351 54.000 0.020 0.000 0.902 2216 D CB 0.469 41.273 40.800 0.007 0.000 1.180 2216 D HN 0.305 nan 8.370 nan 0.000 0.445 2217 E N 1.031 121.228 120.200 -0.005 0.000 2.366 2217 E HA 0.043 4.394 4.350 0.001 0.000 0.266 2217 E C -0.164 176.436 176.600 -0.000 0.000 1.015 2217 E CA 0.084 56.484 56.400 0.001 0.000 0.906 2217 E CB 0.382 30.080 29.700 -0.003 0.000 0.979 2217 E HN 0.192 nan 8.360 nan 0.000 0.443 2218 N N 4.649 123.352 118.700 0.004 0.000 2.645 2218 N HA 0.091 4.831 4.740 0.001 0.000 0.233 2218 N C -2.003 173.496 175.510 -0.018 0.000 1.058 2218 N CA -1.394 51.655 53.050 -0.003 0.000 0.942 2218 N CB 1.221 39.713 38.487 0.008 0.000 1.210 2218 N HN 0.302 nan 8.380 nan 0.000 0.512 2219 P HA -0.028 nan 4.420 nan 0.000 0.221 2219 P C 0.721 177.987 177.300 -0.056 0.000 1.150 2219 P CA 0.698 63.765 63.100 -0.054 0.000 0.800 2219 P CB 0.526 32.198 31.700 -0.046 0.000 0.787 2220 D N -0.544 119.838 120.400 -0.031 0.000 2.220 2220 D HA -0.147 4.493 4.640 0.001 0.000 0.198 2220 D C 1.159 177.447 176.300 -0.021 0.000 1.001 2220 D CA 1.174 55.161 54.000 -0.022 0.000 0.875 2220 D CB -0.428 40.366 40.800 -0.011 0.000 0.921 2220 D HN 0.220 nan 8.370 nan 0.000 0.454 2221 L N 0.031 121.242 121.223 -0.021 0.000 2.872 2221 L HA 0.116 4.457 4.340 0.001 0.000 0.245 2221 L C 1.323 178.180 176.870 -0.022 0.000 1.211 2221 L CA -0.286 54.551 54.840 -0.005 0.000 1.013 2221 L CB 0.562 42.633 42.059 0.020 0.000 1.326 2221 L HN -0.005 nan 8.230 nan 0.000 0.525 2222 L N 0.548 121.722 121.223 -0.083 0.000 2.127 2222 L HA 0.237 4.578 4.340 0.001 0.000 0.203 2222 L C 1.691 178.509 176.870 -0.088 0.000 1.080 2222 L CA 2.048 56.790 54.840 -0.164 0.000 0.768 2222 L CB -0.582 41.236 42.059 -0.401 0.000 0.924 2222 L HN 0.378 nan 8.230 nan 0.000 0.444 2223 G N -2.185 106.587 108.800 -0.046 0.000 2.195 2223 G HA2 -0.277 3.684 3.960 0.001 0.000 0.224 2223 G HA3 -0.277 3.684 3.960 0.001 0.000 0.224 2223 G C 0.171 175.169 174.900 0.163 0.000 0.990 2223 G CA 0.322 45.466 45.100 0.075 0.000 0.639 2223 G HN 0.598 nan 8.290 nan 0.000 0.514 2224 Y N -1.294 119.025 120.300 0.031 0.000 2.689 2224 Y HA 0.741 5.292 4.550 0.001 0.000 0.333 2224 Y C -0.438 175.479 175.900 0.028 0.000 1.208 2224 Y CA -0.641 57.476 58.100 0.028 0.000 1.055 2224 Y CB 1.041 39.519 38.460 0.030 0.000 1.304 2224 Y HN 0.783 nan 8.280 nan 0.000 0.455 2225 T N -1.213 113.490 114.554 0.248 0.000 3.109 2225 T HA 0.647 4.997 4.350 0.001 0.000 0.311 2225 T C -0.031 174.783 174.700 0.190 0.000 1.011 2225 T CA -0.121 62.058 62.100 0.132 0.000 1.026 2225 T CB 0.887 69.787 68.868 0.054 0.000 1.047 2225 T HN 1.985 nan 8.240 nan 0.000 0.448 2226 G N 2.537 111.448 108.800 0.184 0.000 4.080 2226 G HA2 0.126 4.087 3.960 0.001 0.000 0.219 2226 G HA3 0.126 4.087 3.960 0.001 0.000 0.219 2226 G C -0.266 174.711 174.900 0.127 0.000 0.843 2226 G CA -0.422 44.760 45.100 0.137 0.000 0.856 2226 G HN 0.895 nan 8.290 nan 0.000 0.616 2227 I N 1.301 121.979 120.570 0.180 0.000 2.382 2227 I HA 0.385 4.555 4.170 0.001 0.000 0.286 2227 I C -2.005 174.180 176.117 0.112 0.000 1.002 2227 I CA -2.355 59.029 61.300 0.140 0.000 1.135 2227 I CB 2.453 40.554 38.000 0.169 0.000 1.288 2227 I HN -0.178 nan 8.210 nan 0.000 0.448 2228 P HA -0.017 nan 4.420 nan 0.000 0.249 2228 P C 1.417 178.748 177.300 0.051 0.000 1.229 2228 P CA 0.515 63.646 63.100 0.051 0.000 0.788 2228 P CB 0.135 31.858 31.700 0.039 0.000 1.072 2229 T N -2.657 111.936 114.554 0.066 0.000 3.014 2229 T HA -0.039 4.311 4.350 0.001 0.000 0.263 2229 T C 0.305 175.050 174.700 0.076 0.000 1.078 2229 T CA 0.228 62.368 62.100 0.065 0.000 1.135 2229 T CB -0.852 68.055 68.868 0.066 0.000 0.895 2229 T HN 0.057 nan 8.240 nan 0.000 0.480 2230 D N 0.246 120.702 120.400 0.093 0.000 2.303 2230 D HA 0.390 5.030 4.640 0.001 0.000 0.236 2230 D C 0.139 176.464 176.300 0.042 0.000 1.068 2230 D CA -0.865 53.193 54.000 0.096 0.000 0.830 2230 D CB 1.649 42.544 40.800 0.157 0.000 1.109 2230 D HN 0.076 nan 8.370 nan 0.000 0.496 2231 K N 1.293 121.708 120.400 0.025 0.000 2.374 2231 K HA 0.391 4.711 4.320 0.001 0.000 0.202 2231 K C 0.376 176.957 176.600 -0.032 0.000 1.040 2231 K CA -0.068 56.212 56.287 -0.012 0.000 1.085 2231 K CB 0.740 33.242 32.500 0.003 0.000 0.873 2231 K HN 0.802 nan 8.250 nan 0.000 0.539 2232 G N 2.390 111.176 108.800 -0.023 0.000 2.603 2232 G HA2 -0.150 3.810 3.960 0.001 0.000 0.686 2232 G HA3 -0.150 3.810 3.960 0.001 0.000 0.686 2232 G C -3.120 171.786 174.900 0.010 0.000 1.286 2232 G CA -1.252 43.832 45.100 -0.027 0.000 0.871 2232 G HN -0.144 nan 8.290 nan 0.000 0.568 2233 P HA 0.329 nan 4.420 nan 0.000 0.271 2233 P C 0.818 178.163 177.300 0.075 0.000 1.220 2233 P CA -0.155 62.978 63.100 0.055 0.000 0.768 2233 P CB 0.685 32.437 31.700 0.086 0.000 0.848 2234 R N 1.909 122.467 120.500 0.097 0.000 2.153 2234 R HA 0.064 4.405 4.340 0.001 0.000 0.218 2234 R C 0.673 177.062 176.300 0.149 0.000 1.072 2234 R CA 0.392 56.555 56.100 0.107 0.000 0.990 2234 R CB -0.198 30.170 30.300 0.112 0.000 0.889 2234 R HN 0.420 nan 8.270 nan 0.000 0.452 2235 F N 2.368 122.337 119.950 0.033 0.000 2.472 2235 F HA 0.180 4.708 4.527 0.001 0.000 0.364 2235 F C 0.084 175.899 175.800 0.025 0.000 1.090 2235 F CA -0.250 57.771 58.000 0.036 0.000 1.188 2235 F CB 0.416 39.430 39.000 0.024 0.000 1.105 2235 F HN -0.303 nan 8.300 nan 0.000 0.536 2236 R N 6.230 126.474 120.500 -0.427 0.000 2.532 2236 R HA 0.254 4.594 4.340 0.001 0.000 0.297 2236 R C -1.457 174.559 176.300 -0.473 0.000 0.984 2236 R CA -0.899 55.035 56.100 -0.276 0.000 0.884 2236 R CB 1.803 32.030 30.300 -0.121 0.000 1.182 2236 R HN 0.799 nan 8.270 nan 0.000 0.442 2237 K N 5.544 125.780 120.400 -0.273 0.000 2.264 2237 K HA 0.326 4.646 4.320 0.001 0.000 0.277 2237 K C -0.093 176.458 176.600 -0.082 0.000 1.067 2237 K CA -0.469 55.709 56.287 -0.182 0.000 0.900 2237 K CB 0.655 33.174 32.500 0.032 0.000 1.124 2237 K HN 0.490 nan 8.250 nan 0.000 0.469 2238 L N 4.318 125.486 121.223 -0.091 0.000 2.490 2238 L HA 0.063 4.403 4.340 0.001 0.000 0.274 2238 L C 0.989 177.839 176.870 -0.034 0.000 1.201 2238 L CA -0.205 54.600 54.840 -0.059 0.000 0.869 2238 L CB 0.297 42.319 42.059 -0.062 0.000 1.123 2238 L HN 0.794 nan 8.230 nan 0.000 0.484 2239 T N -1.084 113.454 114.554 -0.026 0.000 2.813 2239 T HA 0.008 4.358 4.350 0.001 0.000 0.297 2239 T C 1.250 175.935 174.700 -0.026 0.000 1.036 2239 T CA -0.267 61.823 62.100 -0.017 0.000 1.044 2239 T CB 1.449 70.310 68.868 -0.011 0.000 0.993 2239 T HN 0.611 nan 8.240 nan 0.000 0.535 2240 S N 0.017 115.704 115.700 -0.021 0.000 2.402 2240 S HA -0.216 4.255 4.470 0.001 0.000 0.233 2240 S C 2.017 176.593 174.600 -0.041 0.000 1.030 2240 S CA 1.834 60.015 58.200 -0.032 0.000 1.003 2240 S CB -0.631 62.556 63.200 -0.022 0.000 0.813 2240 S HN 0.845 nan 8.310 nan 0.000 0.477 2241 Q N 1.053 120.834 119.800 -0.031 0.000 2.020 2241 Q HA -0.012 4.329 4.340 0.001 0.000 0.198 2241 Q C 1.900 177.877 176.000 -0.038 0.000 0.974 2241 Q CA 1.921 57.704 55.803 -0.032 0.000 0.829 2241 Q CB -0.435 28.290 28.738 -0.022 0.000 0.894 2241 Q HN 0.634 nan 8.270 nan 0.000 0.433 2242 E N -0.034 120.145 120.200 -0.035 0.000 2.171 2242 E HA -0.198 4.153 4.350 0.001 0.000 0.197 2242 E C 1.971 178.544 176.600 -0.046 0.000 0.997 2242 E CA 1.331 57.709 56.400 -0.036 0.000 0.810 2242 E CB -0.204 29.475 29.700 -0.035 0.000 0.738 2242 E HN 0.473 nan 8.360 nan 0.000 0.467 2243 I N 1.458 121.992 120.570 -0.060 0.000 2.162 2243 I HA -0.243 3.928 4.170 0.001 0.000 0.238 2243 I C 2.046 178.102 176.117 -0.101 0.000 1.076 2243 I CA 0.717 61.965 61.300 -0.086 0.000 1.353 2243 I CB -0.409 37.526 38.000 -0.110 0.000 1.063 2243 I HN 0.048 nan 8.210 nan 0.000 0.408 2244 N N 1.146 119.786 118.700 -0.101 0.000 2.132 2244 N HA -0.223 4.518 4.740 0.001 0.000 0.191 2244 N C 1.391 176.863 175.510 -0.063 0.000 1.015 2244 N CA 1.668 54.661 53.050 -0.095 0.000 0.864 2244 N CB -0.602 37.840 38.487 -0.075 0.000 1.006 2244 N HN 0.354 nan 8.380 nan 0.000 0.430 2245 D N 0.548 120.920 120.400 -0.047 0.000 2.123 2245 D HA -0.086 4.554 4.640 0.001 0.000 0.196 2245 D C 2.013 178.300 176.300 -0.022 0.000 0.992 2245 D CA 0.893 54.875 54.000 -0.030 0.000 0.833 2245 D CB -0.141 40.644 40.800 -0.025 0.000 0.954 2245 D HN 0.297 nan 8.370 nan 0.000 0.455 2246 R N -0.247 120.239 120.500 -0.024 0.000 2.148 2246 R HA 0.106 4.447 4.340 0.001 0.000 0.223 2246 R C 2.216 178.523 176.300 0.012 0.000 1.088 2246 R CA 0.351 56.451 56.100 0.001 0.000 0.985 2246 R CB -0.047 30.256 30.300 0.005 0.000 0.880 2246 R HN 0.230 nan 8.270 nan 0.000 0.451 2247 L N 0.199 121.405 121.223 -0.028 0.000 2.395 2247 L HA -0.055 4.285 4.340 0.001 0.000 0.218 2247 L C 1.702 178.575 176.870 0.005 0.000 1.130 2247 L CA 0.959 55.783 54.840 -0.026 0.000 0.826 2247 L CB -0.138 41.844 42.059 -0.128 0.000 0.941 2247 L HN 0.194 nan 8.230 nan 0.000 0.451 2248 E N 0.856 121.055 120.200 -0.003 0.000 2.033 2248 E HA -0.040 4.311 4.350 0.001 0.000 0.189 2248 E C 1.404 178.016 176.600 0.020 0.000 0.979 2248 E CA 0.843 57.247 56.400 0.006 0.000 0.802 2248 E CB -0.062 29.636 29.700 -0.005 0.000 0.763 2248 E HN 0.359 nan 8.360 nan 0.000 0.449 2249 A N 2.275 125.107 122.820 0.020 0.000 3.074 2249 A HA 0.177 4.497 4.320 0.001 0.000 0.251 2249 A C -0.020 177.599 177.584 0.058 0.000 1.695 2249 A CA 0.083 52.135 52.037 0.025 0.000 1.343 2249 A CB -0.417 18.588 19.000 0.008 0.000 1.078 2249 A HN 0.112 nan 8.150 nan 0.000 0.644 2250 L N 0.000 121.271 121.223 0.080 0.000 2.949 2250 L HA 0.000 4.341 4.340 0.001 0.000 0.249 2250 L CA 0.000 54.926 54.840 0.143 0.000 0.813 2250 L CB 0.000 42.131 42.059 0.119 0.000 0.961 2250 L HN 0.000 nan 8.230 nan 0.000 0.502